N-(4-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(4-bromo-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(4-bromo-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(4-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C16H13BrN2O3S2 MolecularWeight: 425.32002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NC3=C(S2)C=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NC3=C(S2)C=CC=C3Br

InChI

InChI=1S/C16H13BrN2O3S2/c17-12-7-4-8-13-15(12)19-16(23-13)18-14(20)10-24(21,22)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19,20)